In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 17 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.29 | 6.77 | -27.13 | 2 | 3 | 1 | 39 | 242.327 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 6.68 | -9.37 | 1 | 3 | 0 | 38 | 241.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.